6-methyl-4-N-(1-methylsulfinylpropan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine

C14H22N4OS2 — CID 103330173

IUPAC6-methyl-4-N-(1-methylsulfinylpropan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCCNc1nc(NC(C)CS(C)=O)c2cc(C)sc2n1
InChIInChI=1S/C14H22N4OS2/c1-5-6-15-14-17-12(16-9(2)8-21(4)19)11-7-10(3)20-13(11)18-14/h7,9H,5-6,8H2,1-4H3,(H2,15,16,17,18)
InChIKeyCTOXOVWSCDHAOM-UHFFFAOYSA-N
MW326.49 g/mol
LogP3.00
Rot. Bonds7

About 6-methyl-4-N-(1-methylsulfinylpropan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine

6-methyl-4-N-(1-methylsulfinylpropan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103330173) has the molecular formula C14H22N4OS2 and a molecular weight of 326.49 g/mol. Its IUPAC name is 6-methyl-4-N-(1-methylsulfinylpropan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-4-N-(1-methylsulfinylpropan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103330173
Molecular FormulaC14H22N4OS2
Molecular Weight326.49 g/mol
Exact Mass326.12
IUPAC Name6-methyl-4-N-(1-methylsulfinylpropan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCCNc1nc(NC(C)CS(C)=O)c2cc(C)sc2n1
InChIInChI=1S/C14H22N4OS2/c1-5-6-15-14-17-12(16-9(2)8-21(4)19)11-7-10(3)20-13(11)18-14/h7,9H,5-6,8H2,1-4H3,(H2,15,16,17,18)
InChIKeyCTOXOVWSCDHAOM-UHFFFAOYSA-N
XLogP3.00
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-N-(1-methylsulfinylpropan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-4-N-(1-methylsulfinylpropan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine (CID 103330173) is 6-methyl-4-N-(1-methylsulfinylpropan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-4-N-(1-methylsulfinylpropan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-4-N-(1-methylsulfinylpropan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine is CCCNc1nc(NC(C)CS(C)=O)c2cc(C)sc2n1.
What is the InChIKey of 6-methyl-4-N-(1-methylsulfinylpropan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is CTOXOVWSCDHAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS2/c1-5-6-15-14-17-12(16-9(2)8-21(4)19)11-7-10(3)20-13(11)18-14/h7,9H,5-6,8H2,1-4H3,(H2,15,16,17,18).
What are the key properties of 6-methyl-4-N-(1-methylsulfinylpropan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine?
6-methyl-4-N-(1-methylsulfinylpropan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 326.49 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-N-(1-methylsulfinylpropan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103330173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).